[4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid

C11H21NO3 — CID 22310808

IUPAC[4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid
SMILESCN(CC1CCC(CCO)CC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-12(11(14)15)8-10-4-2-9(3-5-10)6-7-13/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyLOZQWPAHGXBJLN-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.78
Rot. Bonds4

About [4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid

[4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid (PubChem CID 22310808) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid
PubChem CID22310808
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name[4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid
SMILESCN(CC1CCC(CCO)CC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-12(11(14)15)8-10-4-2-9(3-5-10)6-7-13/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyLOZQWPAHGXBJLN-UHFFFAOYSA-N
XLogP1.78
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptylmethyl(methyl)carbamic acid
CID 146255648
N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 115151025
N-cyclobutyl-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 115151010
N-(cyclobutylmethyl)-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 115151230
1-(cyclobutylmethyl)-1-methylurea
CID 62860439
4-(2-hydroxyethyl)-N-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide
CID 115151021
3-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylpropanamide
CID 116817268
2-ethyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylbutanamide
CID 115270396
2-[[cyclobutylmethyl(methyl)carbamoyl]-cyclopentylamino]acetic acid
CID 55125772
4-[cyclobutylmethyl(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300106
2-cyclobutyl-N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylacetamide
CID 116817264
methyl(2-piperidin-4-ylethyl)carbamic acid
CID 69061019

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid?
The IUPAC name of [4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid (CID 22310808) is [4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid.
What is the SMILES notation for [4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid?
The canonical SMILES for [4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid is CN(CC1CCC(CCO)CC1)C(=O)O.
What is the InChIKey of [4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid?
The InChIKey is LOZQWPAHGXBJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-12(11(14)15)8-10-4-2-9(3-5-10)6-7-13/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of [4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid?
[4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid has a molecular weight of 215.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid is sourced from PubChem (CID 22310808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).